4-methyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide

C13H11N5O — CID 142065920

IUPAC4-methyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ncnc3[nH]ncc23)cc1
InChIInChI=1S/C13H11N5O/c1-8-2-4-9(5-3-8)13(19)17-11-10-6-16-18-12(10)15-7-14-11/h2-7H,1H3,(H2,14,15,16,17,18,19)
InChIKeyAQPKXXLVUZTHIY-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.91
Rot. Bonds2

About 4-methyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide

4-methyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide (PubChem CID 142065920) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 4-methyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide
PubChem CID142065920
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name4-methyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ncnc3[nH]ncc23)cc1
InChIInChI=1S/C13H11N5O/c1-8-2-4-9(5-3-8)13(19)17-11-10-6-16-18-12(10)15-7-14-11/h2-7H,1H3,(H2,14,15,16,17,18,19)
InChIKeyAQPKXXLVUZTHIY-UHFFFAOYSA-N
XLogP1.91
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide?
The IUPAC name of 4-methyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide (CID 142065920) is 4-methyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide?
The canonical SMILES for 4-methyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide is Cc1ccc(C(=O)Nc2ncnc3[nH]ncc23)cc1.
What is the InChIKey of 4-methyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide?
The InChIKey is AQPKXXLVUZTHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c1-8-2-4-9(5-3-8)13(19)17-11-10-6-16-18-12(10)15-7-14-11/h2-7H,1H3,(H2,14,15,16,17,18,19).
What are the key properties of 4-methyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide?
4-methyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide has a molecular weight of 253.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide is sourced from PubChem (CID 142065920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).